3-(4-chlorophenyl)-3-(4-nitrophenyl)-1-phenylbenzo[f]chromene

C31H20ClNO3 — CID 25136215

IUPAC3-(4-chlorophenyl)-3-(4-nitrophenyl)-1-phenylbenzo[f]chromene
SMILESO=[N+]([O-])c1ccc(C2(c3ccc(Cl)cc3)C=C(c3ccccc3)c3c(ccc4ccccc34)O2)cc1
InChIInChI=1S/C31H20ClNO3/c32-25-15-11-23(12-16-25)31(24-13-17-26(18-14-24)33(34)35)20-28(21-6-2-1-3-7-21)30-27-9-5-4-8-22(27)10-19-29(30)36-31/h1-20H
InChIKeyIZGXJKGJTDWFFH-UHFFFAOYSA-N
MW489.96 g/mol
LogP8.17
Rot. Bonds4

About 3-(4-chlorophenyl)-3-(4-nitrophenyl)-1-phenylbenzo[f]chromene

3-(4-chlorophenyl)-3-(4-nitrophenyl)-1-phenylbenzo[f]chromene (PubChem CID 25136215) has the molecular formula C31H20ClNO3 and a molecular weight of 489.96 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-3-(4-nitrophenyl)-1-phenylbenzo[f]chromene.

Molecular Properties

Compound Name3-(4-chlorophenyl)-3-(4-nitrophenyl)-1-phenylbenzo[f]chromene
PubChem CID25136215
Molecular FormulaC31H20ClNO3
Molecular Weight489.96 g/mol
Exact Mass489.11
IUPAC Name3-(4-chlorophenyl)-3-(4-nitrophenyl)-1-phenylbenzo[f]chromene
SMILESO=[N+]([O-])c1ccc(C2(c3ccc(Cl)cc3)C=C(c3ccccc3)c3c(ccc4ccccc34)O2)cc1
InChIInChI=1S/C31H20ClNO3/c32-25-15-11-23(12-16-25)31(24-13-17-26(18-14-24)33(34)35)20-28(21-6-2-1-3-7-21)30-27-9-5-4-8-22(27)10-19-29(30)36-31/h1-20H
InChIKeyIZGXJKGJTDWFFH-UHFFFAOYSA-N
XLogP8.17
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.96
LogP ≤ 58.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 70381437
CID 70381437
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CID 142590580
1-chloro-4-nitrobenzene;ethane
CID 90737802
(2R)-2-hydroxy-2-phenylbenzo[e][1]benzofuran-1-one
CID 139042115
2-(4-chlorophenyl)-3-(4-nitrophenyl)-1H-quinolin-4-one
CID 177450866
carbonochloridic acid;1-chloro-4-nitrobenzene
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CID 59181302
(1S,3R)-1-(4-nitrophenyl)-3-phenyl-2,3-dihydro-1H-benzo[f][1,3]benzoxazine
CID 11303599
3-(4-chlorophenyl)-4-(4-nitrophenyl)furan-2,5-dione
CID 86081138
9-(6-nitronaphthalen-2-yl)anthracene
CID 174679539
bis(1,2,3,4,5,5-hexachlorocyclopenta-1,3-diene);2-nitronaphthalene
CID 57354038
formaldehyde;bis(1-nitro-4-phenylbenzene)
CID 174842779

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-3-(4-nitrophenyl)-1-phenylbenzo[f]chromene?
The IUPAC name of 3-(4-chlorophenyl)-3-(4-nitrophenyl)-1-phenylbenzo[f]chromene (CID 25136215) is 3-(4-chlorophenyl)-3-(4-nitrophenyl)-1-phenylbenzo[f]chromene.
What is the SMILES notation for 3-(4-chlorophenyl)-3-(4-nitrophenyl)-1-phenylbenzo[f]chromene?
The canonical SMILES for 3-(4-chlorophenyl)-3-(4-nitrophenyl)-1-phenylbenzo[f]chromene is O=[N+]([O-])c1ccc(C2(c3ccc(Cl)cc3)C=C(c3ccccc3)c3c(ccc4ccccc34)O2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-3-(4-nitrophenyl)-1-phenylbenzo[f]chromene?
The InChIKey is IZGXJKGJTDWFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20ClNO3/c32-25-15-11-23(12-16-25)31(24-13-17-26(18-14-24)33(34)35)20-28(21-6-2-1-3-7-21)30-27-9-5-4-8-22(27)10-19-29(30)36-31/h1-20H.
What are the key properties of 3-(4-chlorophenyl)-3-(4-nitrophenyl)-1-phenylbenzo[f]chromene?
3-(4-chlorophenyl)-3-(4-nitrophenyl)-1-phenylbenzo[f]chromene has a molecular weight of 489.96 g/mol, XLogP of 8.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-3-(4-nitrophenyl)-1-phenylbenzo[f]chromene is sourced from PubChem (CID 25136215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).